Terminology Service for NFDI4Health
JSON

digoxigenin monodigitoxoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_63496

A steroid saponin that consists of digoxigenin having a digitoxosyl residue attached at position 3.

Term info

Label

digoxigenin monodigitoxoside

Synonyms
  • (3beta,5beta,12beta)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,5beta,12beta)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide [ IUPAC ]

charge

0

formula

C29H44O8

has obo namespace

chebi_ontology

has related synonym

Digoxigenin-mono(digitoxoside), monodigitoxosyldigoxigenin, Digoxigeninmonodigitoxoside, 3beta-(beta-D-ribo-2,6-dideoxy-hexopyranosyloxy)-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide

id

CHEBI:63496

inchi

InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20-,21+,22+,23-,25+,26-,27+,28+,29+/m1/s1

inchikey

JFSXBMIFXZFKHD-ZDDLGXCGSA-N

mass

520.65490

monoisotopicmass

520.30362

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1